HRID2159462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7841

Allyl bromide

C3H5Br

HCID8058

n-Hexane

C6H14

结构：CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

HCID19935664

Ethyl 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-5-hydroxy-α,α-dimethyl-1H-indole-2-propanoate

C26H32ClNO3S

PRODUCTS

生成物

结构：C=CCOc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)OCC)n2Cc1ccc(Cl)cc1

HCID19935665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f895b1ed6f041fdade64e081a003f4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH:2]=[CH2:3])[Br:4].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[Cl:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][n:11]2[c:12]([CH2:26][C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[c:13]([S:21][C:22]([CH3:23])([CH3:24])[CH3:25])[c:14]3[cH:15][c:16]([OH:20])[cH:17][cH:18][c:19]23)[cH:35][cH:36]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[CH2:1]=[CH:2][CH2:3][O:20][c:16]1[cH:15][c:14]2[c:13]([S:21][C:22]([CH3:23])([CH3:24])[CH3:25])[c:12]([CH2:26][C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[n:11]([CH2:10][c:9]3[cH:8][cH:7][c:6]([Cl:5])[cH:36][cH:35]3)[c:19]2[cH:18][cH:17]1